6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

C18H24N6O — CID 56818248

IUPAC6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(c1nc(C(C)(C)C)no1)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C18H24N6O/c1-13(16-21-17(22-25-16)18(2,3)4)23-7-9-24(10-8-23)15-6-5-14(11-19)12-20-15/h5-6,12-13H,7-10H2,1-4H3
InChIKeyOSHKMFOEBCOLCL-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.52
Rot. Bonds3

About 6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 56818248) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID56818248
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(c1nc(C(C)(C)C)no1)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C18H24N6O/c1-13(16-21-17(22-25-16)18(2,3)4)23-7-9-24(10-8-23)15-6-5-14(11-19)12-20-15/h5-6,12-13H,7-10H2,1-4H3
InChIKeyOSHKMFOEBCOLCL-UHFFFAOYSA-N
XLogP2.52
TPSA82.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36644682
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36643556
5-[(1R)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95587278
3-methyl-5-[(1S)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37139535
6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60561259
3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37201829
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole
CID 55682175
methyl 3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]butanoate
CID 71982269
5-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 46551330
3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 133311387
3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 35017329

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 56818248) is 6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is CC(c1nc(C(C)(C)C)no1)N1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is OSHKMFOEBCOLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13(16-21-17(22-25-16)18(2,3)4)23-7-9-24(10-8-23)15-6-5-14(11-19)12-20-15/h5-6,12-13H,7-10H2,1-4H3.
What are the key properties of 6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 340.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56818248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).